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spectra in solution (to be confronted to experimental data). Second, we will consider the explicit reactivity of these intermediates with model aromatic compounds. Here we will focus more specifically on
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of the catalytic mechanism of oxygen reduction by cytochromes bd, with the E. Coli cytochrom bd-I protein as a first example. This work will require the use of a large panel of molecular modeling tools, from
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of molecular deformation into local strain and ultimately macroscopic actuation. The SIMULACTOR project aims to develop an integrated multiscale approach to model the mechanical behavior of PPAs. Its objective
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combined approach using numerical modeling and environmental metrology Key words: simulation, modeling, partial differential equations, hydraulics, inverse problem, sediment transport, peri-urban catchment
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physical parameters, namely the anisotropies and the diffusion coefficients, will be obtained from molecular dynamics calculations in collaboration with Science et Ingénierie, Matériaux, Procédés (SIMAP
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-heterocyclic carbenes (NHCs) revolutionized the fields of organometallic and organic catalysis. Now, it is non-NHC carbenes that are opening exciting new avenues. , These species, true "molecular Swiss Army
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and with the 2AT team at Institut Pprime to develop resolvent-based modelling tools for turbulent jets in cases where the jet mean flow is three-dimensional. The researcher shall: - Develop a high-order
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, - openness to collaboration with industrial partners (Airbus) and have a strong interest in aerospace modelling projects. The candidate must hold a PhD in mechanical engineering, aerospace engineering or a
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3 Mar 2026 Job Information Organisation/Company CNRS Department Sciences et Ingénierie, Matériaux, Procédés Research Field Chemistry Physics Technology Researcher Profile First Stage Researcher (R1) Application Deadline 23 Mar 2026 - 23:59 (UTC) Country France Type of Contract Temporary Job...
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, energetic processes. Approaches are experimental, with a great emphasis on optical methods as well as theoretical, through modeling of reacting flows. The laboratory is thus developing experimental diagnostic